5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline

C11H11ClFN3 — CID 43663388

IUPAC5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCn1nccc1CNc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFN3/c1-16-9(4-5-15-16)7-14-11-6-8(12)2-3-10(11)13/h2-6,14H,7H2,1H3
InChIKeyACCRXEQDDYGYAY-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.82
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline

5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline (PubChem CID 43663388) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
PubChem CID43663388
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCn1nccc1CNc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFN3/c1-16-9(4-5-15-16)7-14-11-6-8(12)2-3-10(11)13/h2-6,14H,7H2,1H3
InChIKeyACCRXEQDDYGYAY-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000865
4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
CID 115468972
4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663168
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145
4-chloro-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-nitroaniline
CID 66078961
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 86794349
N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide
CID 63302325
2-bromo-5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001743
2,3-difluoro-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 107933811
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline (CID 43663388) is 5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline is Cn1nccc1CNc1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is ACCRXEQDDYGYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-16-9(4-5-15-16)7-14-11-6-8(12)2-3-10(11)13/h2-6,14H,7H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline?
5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline has a molecular weight of 239.68 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 43663388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).